N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]propyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]propyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3,4-dimethoxy-benzamide Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=O)C3=CC(=C(C=C3)OC)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=O)C3=CC(=C(C=C3)OC)OC)C#N)C

InChI

InChI=1S/C24H26N4O3/c1-15-10-16(2)19-12-18(14-25)23(28-20(19)11-15)26-8-5-9-27-24(29)17-6-7-21(30-3)22(13-17)31-4/h6-7,10-13H,5,8-9H2,1-4H3,(H,26,28)(H,27,29)/p+1